기본 정보
- 표준 SMILES
CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1- InChIKey
GCFVBBMPZROJOD-UHFFFAOYSA-N- 분자식
- C17H21N3O3
- 평균 분자량
- 315.37 g/mol
- 단동위원소 질량
- 315.15829154
이름 및 식별자
- 우선 이름
- Ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate
- IUPAC
- ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate
이름 및 동의어
MLS000715648SMR000277165BAS 07529517SCHEMBL113821CHEMBL1505060BDBM34860cid_1090305GCFVBBMPZROJOD-UHFFFAOYSA-NHMS2627N23ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylateAKOS002307685ST50325350
이름 더 보기
SR-01000364698SR-01000364698-15-(4-ethoxycarbonylpiperazinomethy)-8-hydroxyquinolineethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazinecarboxylateethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazine-1-carboxylateethyl 4-(8-hydroxyquinolin-5-ylmethyl)-1-piperazine carboxylateethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazine-1-carboxylate4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecarboxylic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 1090305
- ChEMBL
CHEMBL1505060
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 65.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 399
실험 및 물리화학적 성질
Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
4건
화합물 노트
불러오는 중…